C271-0240 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-methyl-3-(1-methyl-1H-indol-3-yl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

C271-0240 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-methyl-3-(1-methyl-1H-indol-3-yl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
C271-0240 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-methyl-3-(1-methyl-1H-indol-3-yl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C271-0240
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-methyl-3-(1-methyl-1H-indol-3-yl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C271-0240

Molecular Formula

C28H31N3O2 (C28 H31 N3 O2)

Compound Name

N-[2-(cyclohex-1-en-1-yl)ethyl]-2-methyl-3-(1-methyl-1H-indol-3-yl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-2-methyl-3-(1-methyl-1H-indol-3-yl)-1-oxo-1234-tetrahydroisoquinoline-4-carboxamide

SMILES

Cn1c(cccc2)c2c(C(C(C(NCCC2=CCCCC2)=O)c2c3cccc2)N(C)C3=O)c1

InChI

InChI=1S/C28H31N3O2/c1-30-18-23(20-12-8-9-15-24(20)30)26-25(21-13-6-7-14-22(21)28(33)31(26)2)27(32)29-17-16-19-10-4-3-5-11-19/h6-10,12-15,18,25-26H,3-5,11,16-17H2,1-2H3,(H,29,32)

InChI Key

GEGIKXILYSZTES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05032183

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.57

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.738

Distribution Coefficient, logD

3.738

Water Solubility, LogSw

-3.82

Polar Surface Area

42.695

Acid Dissociation Constant (pKa)

12.10

Base Dissociation Constant (pKb)

-0.61

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.70

C271-0240 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C271-0240 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C271-0240?
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What is the minimum amount of C271-0240 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C271-0240
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C271-0240
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C271-0240 available by request